Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMYEKARQMMIEAHSGQVRK-ITGEPYFSHPLNVARIL-RRAGFREEVVV-AGLLHDAVEDTEMTDADIRATFGDEVADLVASHTENKTLSWEERKAHTIEQVRTGNLEEKALIVADKLDNLTSVKYALSSEGKS---VWSYFKRGYDLQKWYNQGIKNNMEYGLNPSEIPPFFDEYARLVKWIFKK
3NR1 Chain:B ((18-167))------------HRQQRRKDPEGTPYINHPIGVARILTHEAGITDIVVLQAALLHDTVEDTDTTLDEVELHFGAQVRRLVEEVTDDKTLPKLERKRLQVEQAPHSSPGAKLVKLADKLYNLRDLNRC-TPEGWSEHRVQEYFEWAAQVVKGL-QGTNRQLEEAL----------------------


General information:
TITO was launched using:
RESULT:

Template: 3NR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10684 for 1041 contacts (-10.3/contact) +
2D Compatibility (PS) -15314 + (NN) -6385 + (LL) 3256
1D Compatibility (HY) -7600 + (ID) 3000
Total energy: -39727.0 ( -38.16 by residue)
QMean score : 0.405

(partial model without unconserved sides chains):
PDB file : Tito_3NR1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NR1-query.scw
PDB file : Tito_Scwrl_3NR1.pdb: